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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229227

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1229227
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'U', 'V', 'S', 'O']
  • Chemical System: Ba-O-S-U-V
  • Density: 4.4111806488240255
  • Atomic Density: 0.03573009263457005
  • Unit Cell Volume: 1287.4301914205919
  • Molar Volume: 16.85453441610554
  • Full Formula: Ba14 U2 V4 S25 O1
  • Reduced Formula: Ba14U2V4S25O
  • Formula Anonymous: AB2C4D14E25
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -284.79863495
  • Final energy per atom: -6.191274672826087
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.